EGF-06794 Red
CC=CC(=O)Nc1cccc(C(C)N=c2[nH]ccc(=NC(C)C)[nH]2)c1
0.355
Platform Score
2D Structure
C19H25N5O | Exact mass: 339.2059
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
85
TPSA
339
MW
3
HBD
2.8
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (PDB: 1M17) |
| Selective | No |
Selectivity Profile
ADMET Profile
| BBB (BOILED-Egg) | BBB- (non-penetrant) |
| ADMET Status | Pass (no hard fails) |
CNS Drug-Likeness
Physicochemical Properties
| Molecular Weight | 339.40 Da |
| TPSA | 85.4 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 2.83 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 5 |
| Rings | 2 (2 aromatic) |
| QED | 0.719 |
| SA Score | 3.93 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H25N5O |
| Exact Mass | 339.2059 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |